SCHEMBL2897169

SCHEMBL2897169

CC#CCOc1ccc(OCCN2CCCCC2)cc1

nearest known ligand 0.60

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
PSMB1 P20618 8/20 0.60
PSMB5 P28074 8/20 0.60
PSMB2 P49721 6/20 0.60
HRH3 Q9Y5N1 3/20 0.59
LTA4H P09960 7/20 0.57
KDM4E B2RXH2 2/20 0.57
PTGS1 P23219 1/20 0.57
PTGS2 P35354 1/20 0.57

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL82435 0.79 HRH3 (0.73) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL13297167 0.79 KDM4E (0.82) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL3937460 0.79 LTA4H (0.87) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL14970684 0.79 LTA4H (0.82) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL12035585 0.79 HRH3 (0.73) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL23724061 0.79 LTA4H (0.87) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL15257179 0.79 LTA4H (0.82) PSMB1PSMB5PSMB2HRH3LTA4H
SCHEMBL3578646 0.79 HRH3 (0.90) PSMB1PSMB5PSMB2HRH3LTA4H
Hydrochloric Acid SCHEMBL14966283 0.78 LTA4H (0.79) PSMB1PSMB5PSMB2HRH3LTA4H
Hydrochloric Acid SCHEMBL3997911 0.78 LTA4H (0.84) PSMB1PSMB5PSMB2HRH3LTA4H

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-7728032-B2 Phenoxymethylalkyne inhibitors of LTA4H for treating inflammation DECODE GENETICS EHF (IS) 2010-06-01 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 US disclosed
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF. (IS) 2008-04-17 US disclosed
WO-2008019284-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed
WO-2008019284-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION DECODE GENETICS EHF (IS) 2008-02-14 WO disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (1 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080090839-A1 PHENOXYMETHYLALKYNE INHIBITORS OF LTA4H FOR TREATING INFLAMMATION LTA4H, LTB4R, LTB4R2 PSMB1 2492/4885PSMB5 1273/4885PSMB2 3046/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.